[5-tert-butyl-2-hydroxy-4-(2-hydroxyethoxy)phenyl]-phenylmethanone

C19H22O4 — CID 139724877

IUPAC[5-tert-butyl-2-hydroxy-4-(2-hydroxyethoxy)phenyl]-phenylmethanone
SMILESCC(C)(C)c1cc(C(=O)c2ccccc2)c(O)cc1OCCO
InChIInChI=1S/C19H22O4/c1-19(2,3)15-11-14(16(21)12-17(15)23-10-9-20)18(22)13-7-5-4-6-8-13/h4-8,11-12,20-21H,9-10H2,1-3H3
InChIKeyNULBTZPGIYYUIZ-UHFFFAOYSA-N
MW314.38 g/mol
LogP3.29
Rot. Bonds5

About [5-tert-butyl-2-hydroxy-4-(2-hydroxyethoxy)phenyl]-phenylmethanone

[5-tert-butyl-2-hydroxy-4-(2-hydroxyethoxy)phenyl]-phenylmethanone (PubChem CID 139724877) has the molecular formula C19H22O4 and a molecular weight of 314.38 g/mol. Its IUPAC name is [5-tert-butyl-2-hydroxy-4-(2-hydroxyethoxy)phenyl]-phenylmethanone.

Molecular Properties

Compound Name[5-tert-butyl-2-hydroxy-4-(2-hydroxyethoxy)phenyl]-phenylmethanone
PubChem CID139724877
Molecular FormulaC19H22O4
Molecular Weight314.38 g/mol
Exact Mass314.15
IUPAC Name[5-tert-butyl-2-hydroxy-4-(2-hydroxyethoxy)phenyl]-phenylmethanone
SMILESCC(C)(C)c1cc(C(=O)c2ccccc2)c(O)cc1OCCO
InChIInChI=1S/C19H22O4/c1-19(2,3)15-11-14(16(21)12-17(15)23-10-9-20)18(22)13-7-5-4-6-8-13/h4-8,11-12,20-21H,9-10H2,1-3H3
InChIKeyNULBTZPGIYYUIZ-UHFFFAOYSA-N
XLogP3.29
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-tert-butyl-2-hydroxy-4-(2-hydroxyethoxy)phenyl]-phenylmethanone?
The IUPAC name of [5-tert-butyl-2-hydroxy-4-(2-hydroxyethoxy)phenyl]-phenylmethanone (CID 139724877) is [5-tert-butyl-2-hydroxy-4-(2-hydroxyethoxy)phenyl]-phenylmethanone.
What is the SMILES notation for [5-tert-butyl-2-hydroxy-4-(2-hydroxyethoxy)phenyl]-phenylmethanone?
The canonical SMILES for [5-tert-butyl-2-hydroxy-4-(2-hydroxyethoxy)phenyl]-phenylmethanone is CC(C)(C)c1cc(C(=O)c2ccccc2)c(O)cc1OCCO.
What is the InChIKey of [5-tert-butyl-2-hydroxy-4-(2-hydroxyethoxy)phenyl]-phenylmethanone?
The InChIKey is NULBTZPGIYYUIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O4/c1-19(2,3)15-11-14(16(21)12-17(15)23-10-9-20)18(22)13-7-5-4-6-8-13/h4-8,11-12,20-21H,9-10H2,1-3H3.
What are the key properties of [5-tert-butyl-2-hydroxy-4-(2-hydroxyethoxy)phenyl]-phenylmethanone?
[5-tert-butyl-2-hydroxy-4-(2-hydroxyethoxy)phenyl]-phenylmethanone has a molecular weight of 314.38 g/mol, XLogP of 3.29, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-tert-butyl-2-hydroxy-4-(2-hydroxyethoxy)phenyl]-phenylmethanone is sourced from PubChem (CID 139724877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).